6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane

C16H22N2 — CID 167507275

IUPAC6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane
SMILESC1=Cc2[nH]c3ncccc3c2C=CC1.CC.CC
InChIInChI=1S/C12H10N2.2C2H6/c1-2-5-9-10-6-4-8-13-12(10)14-11(9)7-3-1;2*1-2/h2-8H,1H2,(H,13,14);2*1-2H3
InChIKeyIPXUWLHQVWXZAY-UHFFFAOYSA-N
MW242.37 g/mol
LogP5.05
Rot. Bonds

About 6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane

6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane (PubChem CID 167507275) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane.

Molecular Properties

Compound Name6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane
PubChem CID167507275
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane
SMILESC1=Cc2[nH]c3ncccc3c2C=CC1.CC.CC
InChIInChI=1S/C12H10N2.2C2H6/c1-2-5-9-10-6-4-8-13-12(10)14-11(9)7-3-1;2*1-2/h2-8H,1H2,(H,13,14);2*1-2H3
InChIKeyIPXUWLHQVWXZAY-UHFFFAOYSA-N
XLogP5.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.37
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane with MolForge

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Related Compounds

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2,3-dimethyl-1H-1,8-naphthyridine-4-thione
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3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 91100432
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9H-pyrido[2,3-b]indol-7-ol
CID 67086557
1-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine
CID 53364061
dibenzofuran;9H-pyrido[2,3-b]indole
CID 175499202
2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 58087002
2-(9H-pyrido[2,3-b]indol-6-yl)ethanol
CID 69258073
1-(9H-pyrido[2,3-b]indol-6-yl)ethanol
CID 57456842
4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 44548154

Frequently Asked Questions

What is the IUPAC name of 6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane?
The IUPAC name of 6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane (CID 167507275) is 6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane.
What is the SMILES notation for 6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane?
The canonical SMILES for 6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane is C1=Cc2[nH]c3ncccc3c2C=CC1.CC.CC.
What is the InChIKey of 6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane?
The InChIKey is IPXUWLHQVWXZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2.2C2H6/c1-2-5-9-10-6-4-8-13-12(10)14-11(9)7-3-1;2*1-2/h2-8H,1H2,(H,13,14);2*1-2H3.
What are the key properties of 6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane?
6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane has a molecular weight of 242.37 g/mol, XLogP of 5.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane is sourced from PubChem (CID 167507275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).